#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrp s LYS 2 N 0.00 3.33 0.30 0.00 2.20 -1.26 -1.62 119.74 122.68 1zrp s LYS 2 Ca 0.00 -0.70 0.10 0.00 -0.36 0.00 0.00 55.97 55.01 1zrp s LYS 2 Cb 0.00 -2.66 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 1zrp s LYS 2 CO 0.00 0.11 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.50 1zrp s TRP 3 N 0.60 2.57 0.17 4.03 0.52 0.41 -0.54 118.94 126.70 1zrp s TRP 3 Ca -0.08 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.77 1zrp s TRP 3 Cb -0.16 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 1zrp s TRP 3 CO 0.03 0.57 -0.11 0.54 0.02 0.00 0.00 176.95 178.01 1zrp s VAL 4 N -2.43 1.30 -0.31 4.03 0.11 0.38 0.56 120.40 124.03 1zrp s VAL 4 Ca 0.33 -2.10 -0.23 0.00 -2.93 0.00 0.00 61.98 57.05 1zrp s VAL 4 Cb -0.04 -1.93 -0.00 0.00 -1.53 0.00 0.00 36.38 32.89 1zrp s VAL 4 CO 0.19 -0.68 0.76 0.00 -3.33 0.00 0.00 175.10 172.04 1zrp h LYS 6 N 8.14 0.00 0.00 0.00 1.57 -1.72 -1.82 116.57 122.75 1zrp h LYS 6 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1zrp h LYS 6 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1zrp h LYS 6 CO 0.87 0.06 0.00 -0.89 -0.57 0.00 0.00 179.45 178.92 1zrp n ILE 7 N -3.73 0.00 0.02 1.86 -0.00 -1.26 -4.76 119.36 111.48 1zrp n ILE 7 Ca -0.02 0.19 -0.08 0.00 -0.00 0.00 0.00 62.75 62.84 1zrp n ILE 7 Cb 0.16 -0.63 -0.13 0.00 -0.00 0.00 0.00 39.64 39.04 1zrp n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 9 N 1.48 1.53 3.81 0.00 0.00 -0.69 -5.07 105.19 106.26 1zrp n GLY 9 Ca -0.10 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1zrp n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1zrp s TYR 10 N -2.00 2.55 -0.04 1.61 5.04 -1.26 -4.81 117.35 118.45 1zrp s TYR 10 Ca 0.00 0.82 -0.03 0.00 -2.44 0.00 0.00 57.07 55.42 1zrp s TYR 10 Cb 0.00 -3.43 0.02 0.00 0.35 0.00 0.00 41.96 38.90 1zrp s TYR 10 CO 0.00 -2.28 0.10 0.42 -1.34 0.00 0.00 175.55 172.44 1zrp s ILE 11 N -3.34 -0.02 0.01 3.14 1.09 -1.26 0.59 121.20 121.41 1zrp s ILE 11 Ca 0.64 0.07 -0.13 0.00 -1.10 0.00 0.00 60.65 60.13 1zrp s ILE 11 Cb -0.14 -0.15 -0.06 0.00 -1.06 0.00 0.00 42.46 41.05 1zrp s ILE 11 CO 0.53 0.03 0.38 -0.47 -0.10 0.00 0.00 174.94 175.31 1zrp s TYR 12 N 0.43 3.68 -0.30 3.97 5.04 0.19 -4.95 117.35 125.42 1zrp s TYR 12 Ca -0.03 0.90 0.03 0.00 -2.44 0.00 0.00 57.07 55.53 1zrp s TYR 12 Cb -0.05 -2.23 0.08 0.00 0.35 0.00 0.00 41.96 40.12 1zrp s TYR 12 CO -0.02 0.62 -0.02 0.34 -1.34 0.00 0.00 175.55 175.14 1zrp s ASP 13 N -1.24 4.48 0.45 4.32 2.15 -1.26 -0.44 116.67 125.12 1zrp s ASP 13 Ca 0.25 -1.73 0.31 0.00 0.43 0.00 0.00 52.55 51.81 1zrp s ASP 13 Cb -0.16 -1.49 1.57 0.00 -0.30 0.00 0.00 42.92 42.54 1zrp s ASP 13 CO 0.14 -0.30 1.93 -0.33 -0.17 0.00 0.00 175.17 176.44 1zrp h GLU 14 N 7.75 0.00 0.00 4.34 5.08 -1.54 0.68 114.58 130.88 1zrp h GLU 14 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1zrp h GLU 14 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1zrp h GLU 14 CO 0.48 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.02 1zrp n ASP 15 N -2.61 0.00 -0.36 1.42 -0.08 -1.26 0.97 116.55 114.63 1zrp n ASP 15 Ca -0.01 0.66 -0.02 0.00 -1.51 0.00 0.00 54.79 53.91 1zrp n ASP 15 Cb 0.11 -0.18 0.10 0.00 2.34 0.00 0.00 41.12 43.49 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zrp h ALA 16 N -2.00 1.21 0.00 -1.67 0.00 -0.23 -1.96 119.26 114.62 1zrp h ALA 16 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1zrp h ALA 16 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1zrp h ALA 16 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1zrp n GLY 17 N -1.36 -1.78 2.43 0.00 0.00 0.10 -4.01 105.19 100.57 1zrp n GLY 17 Ca 0.11 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1zrp n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zrp n ASP 18 N 0.12 -0.23 0.26 1.61 2.03 -0.82 -4.46 116.55 115.06 1zrp n ASP 18 Ca 0.00 -3.17 0.17 0.00 0.52 0.00 0.00 54.79 52.31 1zrp n ASP 18 Cb 0.00 0.26 0.91 0.00 -0.72 0.00 0.00 41.12 41.56 1zrp n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1zrp h PRO 19 N 2.95 0.00 0.00 -0.67 0.13 -1.76 0.87 132.00 133.52 1zrp h PRO 19 Ca -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1zrp h PRO 19 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1zrp h PRO 19 CO 0.36 0.00 -0.10 0.22 -0.23 0.00 0.00 178.00 178.25 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 3.58 -1.94 0.78 116.42 120.28 1zrp h ASP 20 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1zrp h ASP 20 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1zrp h ASP 20 CO -0.00 0.10 -1.09 0.59 -2.88 0.00 0.00 179.24 175.96 1zrp n ASN 21 N -3.32 0.84 -0.14 2.28 3.02 -0.14 -4.97 115.26 112.83 1zrp n ASN 21 Ca -0.01 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1zrp n ASN 21 Cb 0.30 1.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.69 1zrp n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zrp n GLY 22 N 1.43 0.67 3.37 7.41 0.00 0.27 -5.10 105.19 113.23 1zrp n GLY 22 Ca 0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1zrp n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zrp s ILE 23 N -1.63 2.92 0.36 -0.61 1.09 0.12 -4.92 121.20 118.53 1zrp s ILE 23 Ca 0.00 -0.72 -0.10 0.00 -1.10 0.00 0.00 60.65 58.73 1zrp s ILE 23 Cb 0.00 -2.20 -0.06 0.00 -1.06 0.00 0.00 42.46 39.14 1zrp s ILE 23 CO 0.00 0.54 0.70 -0.44 -0.10 0.00 0.00 174.94 175.65 1zrp s SER 24 N 0.13 6.53 0.19 3.58 0.01 -1.26 -1.94 113.70 120.94 1zrp s SER 24 Ca -0.07 1.04 -0.32 0.00 1.31 0.00 0.00 55.95 57.91 1zrp s SER 24 Cb -0.15 -2.28 -0.15 0.00 0.21 0.00 0.00 66.02 63.64 1zrp s SER 24 CO 0.05 -0.32 1.13 -0.81 0.41 0.00 0.00 173.24 173.70 1zrp n PRO 25 N -1.06 1.19 -0.95 12.44 -0.04 -1.26 -1.83 135.00 143.48 1zrp n PRO 25 Ca 0.01 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1zrp n PRO 25 Cb 0.54 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zrp n GLY 26 N 1.89 0.83 3.77 0.55 0.00 0.27 -4.92 105.19 107.59 1zrp n GLY 26 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1zrp n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zrp s THR 27 N -3.44 2.56 0.54 2.61 2.01 -0.76 -4.92 115.64 114.25 1zrp s THR 27 Ca 0.00 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1zrp s THR 27 Cb 0.00 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1zrp s THR 27 CO 0.00 0.11 0.80 -0.54 -0.69 0.00 0.00 174.62 174.30 1zrp s LYS 28 N -2.00 2.80 0.02 4.92 1.02 -1.26 -4.54 119.74 120.69 1zrp s LYS 28 Ca 0.52 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 55.96 1zrp s LYS 28 Cb -0.40 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1zrp s LYS 28 CO 0.53 -0.61 1.16 0.35 -0.92 0.00 0.00 175.35 175.86 1zrp h PHE 29 N 0.04 -0.54 0.00 3.18 3.57 -1.95 0.13 116.94 121.36 1zrp h PHE 29 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1zrp h PHE 29 Cb 1.27 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1zrp h PHE 29 CO 0.42 -0.34 0.00 0.39 -2.23 0.00 0.00 178.31 176.56 1zrp n GLU 30 N -3.69 0.95 0.01 1.11 1.02 -1.26 0.21 120.64 118.99 1zrp n GLU 30 Ca -0.07 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.17 1zrp n GLU 30 Cb 0.23 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1zrp n GLU 31 N -0.56 0.17 -0.45 3.49 4.07 -0.27 -4.92 120.64 122.18 1zrp n GLU 31 Ca 0.03 -0.03 -0.29 0.00 -0.06 0.00 0.00 57.16 56.80 1zrp n GLU 31 Cb 0.01 -1.53 0.27 0.00 -0.06 0.00 0.00 31.44 30.14 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1zrp s LEU 32 N -3.46 -0.16 0.71 4.31 1.43 0.13 -4.83 118.68 116.82 1zrp s LEU 32 Ca 0.05 1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 1zrp s LEU 32 Cb 0.15 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1zrp s LEU 32 CO 0.84 -4.81 0.49 -2.65 0.23 0.00 0.00 176.35 170.45 1zrp n PRO 33 N -5.30 0.30 0.07 1.29 -0.02 -1.26 -4.88 135.00 125.20 1zrp n PRO 33 Ca 0.07 0.14 -0.02 0.00 -2.02 0.00 0.00 63.50 61.67 1zrp n PRO 33 Cb 0.57 -1.79 0.23 0.00 -0.02 0.00 0.00 33.50 32.49 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1zrp h ASP 34 N -0.34 0.33 -0.43 2.55 5.19 -1.95 -2.15 116.42 119.62 1zrp h ASP 34 Ca -0.45 -0.12 -0.09 0.00 -0.62 0.00 0.00 57.03 55.75 1zrp h ASP 34 Cb 1.35 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.72 1zrp h ASP 34 CO 0.42 0.65 0.06 -0.67 -3.12 0.00 0.00 179.24 176.58 1zrp n ASP 35 N -4.08 4.05 -4.59 6.45 -0.08 -1.26 -4.85 116.55 112.18 1zrp n ASP 35 Ca -0.01 -3.20 -0.42 0.00 -1.51 0.00 0.00 54.79 49.65 1zrp n ASP 35 Cb 0.43 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 43.24 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1zrp s TRP 36 N -2.95 1.16 0.51 -0.67 -0.00 -0.81 -4.94 118.94 111.24 1zrp s TRP 36 Ca 0.47 0.75 0.05 0.00 -0.00 0.00 0.00 56.10 57.37 1zrp s TRP 36 Cb 0.39 -3.86 0.01 0.00 -0.00 0.00 0.00 33.47 30.00 1zrp s TRP 36 CO 0.09 -3.75 0.27 0.14 -0.00 0.00 0.00 176.95 173.70 1zrp s VAL 37 N 9.07 1.68 0.07 5.86 -7.23 -1.26 -1.97 120.40 126.61 1zrp s VAL 37 Ca 0.99 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 59.21 1zrp s VAL 37 Cb -0.30 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 1zrp s VAL 37 CO 0.33 0.00 1.64 0.00 -0.31 0.00 0.00 175.10 176.76 1zrp h PRO 39 N 8.29 0.00 0.00 0.00 0.11 -1.98 -1.75 132.00 136.67 1zrp h PRO 39 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1zrp h PRO 39 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1zrp h PRO 39 CO 0.93 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.83 1zrp n ILE 40 N -3.60 0.00 0.24 4.15 -0.00 -1.26 -4.85 119.36 114.04 1zrp n ILE 40 Ca 0.05 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 62.94 1zrp n ILE 40 Cb 0.54 -0.67 0.41 0.00 -0.00 0.00 0.00 39.64 39.92 1zrp n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 42 N 0.58 0.74 3.80 0.00 0.00 -0.66 -4.99 105.19 104.66 1zrp n GLY 42 Ca 0.02 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1zrp n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrp s ALA 43 N -2.85 3.68 0.86 4.61 0.00 -1.26 -4.67 121.76 122.13 1zrp s ALA 43 Ca 0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1zrp s ALA 43 Cb -0.02 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1zrp s ALA 43 CO 0.05 0.34 0.75 -2.30 0.00 0.00 0.00 175.76 174.60 1zrp n PRO 44 N 2.56 -0.05 0.23 0.00 -0.02 -1.26 0.58 135.00 137.04 1zrp n PRO 44 Ca -0.14 0.05 0.16 0.00 -2.02 0.00 0.00 63.50 61.54 1zrp n PRO 44 Cb 0.53 -2.08 0.82 0.00 -0.02 0.00 0.00 33.50 32.74 1zrp n PRO 44 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1zrp h LYS 45 N -1.16 0.00 0.00 -0.52 2.10 -1.72 0.44 116.57 115.71 1zrp h LYS 45 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1zrp h LYS 45 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1zrp h LYS 45 CO 0.40 0.00 0.00 1.03 -2.00 0.00 0.00 179.45 178.88 1zrp h SER 46 N 0.00 0.00 -0.03 7.07 0.87 -1.88 -0.59 113.55 118.99 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zrp h SER 46 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1zrp h SER 46 CO 0.00 0.00 0.00 1.21 -0.53 0.00 0.00 176.83 177.51 1zrp n GLU 47 N -2.71 1.52 -3.58 2.24 4.07 0.15 -4.94 120.64 117.39 1zrp n GLU 47 Ca -0.02 -2.58 -0.39 0.00 -0.06 0.00 0.00 57.16 54.11 1zrp n GLU 47 Cb 0.07 -1.53 -0.11 0.00 -0.06 0.00 0.00 31.44 29.82 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1zrp s PHE 48 N -2.82 3.21 0.10 4.31 0.40 -0.23 -2.02 117.98 120.93 1zrp s PHE 48 Ca 0.32 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.56 1zrp s PHE 48 Cb 0.28 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 41.43 1zrp s PHE 48 CO 0.04 -0.26 0.10 0.39 0.70 0.00 0.00 175.22 176.18 1zrp n GLU 49 N 5.06 -0.88 -3.82 0.44 -0.58 0.20 -4.79 120.64 116.27 1zrp n GLU 49 Ca -0.14 -0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 56.32 1zrp n GLU 49 Cb 0.51 -0.13 -0.12 0.00 -0.57 0.00 0.00 31.44 31.13 1zrp n GLU 49 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1zrp s LYS 50 N -3.23 0.28 -0.35 3.49 0.00 -1.26 -0.47 119.74 118.20 1zrp s LYS 50 Ca 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 55.97 56.07 1zrp s LYS 50 Cb -0.00 0.13 0.01 0.00 0.00 0.00 0.00 37.83 37.96 1zrp s LYS 50 CO 0.05 -0.05 0.21 -0.11 0.00 0.00 0.00 175.35 175.45 1zrp n LEU 51 N 2.61 -8.01 -4.35 2.77 7.94 0.30 -4.91 117.00 113.35 1zrp n LEU 51 Ca -0.15 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.51 1zrp n LEU 51 Cb 0.58 -3.37 -0.12 0.00 0.53 0.00 0.00 43.42 41.03 1zrp n LEU 51 CO 0.20 -2.93 -0.27 -1.83 -1.11 0.00 0.00 177.39 171.45 1zrp s GLU 52 N -1.97 3.12 0.00 1.96 4.04 -1.26 -5.08 118.70 119.50 1zrp s GLU 52 Ca 0.09 -0.84 0.00 0.00 0.04 0.00 0.00 54.97 54.26 1zrp s GLU 52 Cb -0.02 -3.39 0.00 0.00 0.02 0.00 0.00 34.13 30.74 1zrp s GLU 52 CO 0.78 -0.44 0.00 -3.47 -1.84 0.00 0.00 175.26 170.29